CID 529066

1-[(5-methyl-2-furanyl)methyl]pyrrolidine

Structural Information

Molecular Formula
C10H15NO
SMILES
CC1=CC=C(O1)CN2CCCC2
InChI
InChI=1S/C10H15NO/c1-9-4-5-10(12-9)8-11-6-2-3-7-11/h4-5H,2-3,6-8H2,1H3
InChIKey
IETSEKPJTAMXGM-UHFFFAOYSA-N
Compound name
1-[(5-methylfuran-2-yl)methyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

20
Patents

165.11537 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.12265 135.8
[M+Na]+ 188.10459 142.9
[M-H]- 164.10809 141.6
[M+NH4]+ 183.14919 157.2
[M+K]+ 204.07853 142.5
[M+H-H2O]+ 148.11263 129.6
[M+HCOO]- 210.11357 158.2
[M+CH3COO]- 224.12922 176.8
[M+Na-2H]- 186.09004 139.1
[M]+ 165.11482 135.2
[M]- 165.11592 135.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe